简介：3-(2-Hydroxyphenyl)-6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine,C16H11N5O3S,waspreparedbythecyclizationof3-(2-hydroxyphenyl)-4-amino-5-mercapto-1,2,4-triazolewith2-bromo-4-nitroacetophenone.Thecompoundwascharacterizedbymeansofelementalanalysis,IR,1HNMR,13CNMR,massspectrometry,andX-raydiffraction.ThecompoundcrystallizesinamonoclinicsystemwithspacegroupCc,a=2.1853(4)nm,b=2.1192(5)nm,c=1.3526(3)nm,β=95.21(2)°,V=6.238(2)nm3,Dcalcd.=1.505Mg/m3,Z=16,F(000)=2916,R1=0.0501,wR2=0.0427.Acomparisonbetweenthecrystalstructuresof1,2,4-triazolo[3,4-b][1,3,4]thiadiazineand1,2,4-triazolo[3,4-b][1,3,4]thiadiazolewasmadeinthestructuralview.Atwo-dimensionalnetworkisformedbyhydrogenbondsandπ-πstackinginteractions.

简介：Afacileandconvenientsynthesismethodhasbeendevelopedforsubstitutedquinoxalinesand2H-benzo[b][1,4]oxazinesfromthereactionsofα-bromoketoneswithbenzene-1,2-diamineand2-aminophenol,respectively,whichwerecatalyzedbytetrabutylammoniumbromide(TBAB)inaqueousbasicmedia.

简介：Thispaperreportstwolanthanidecomplexesofformula（C9H7）Ln（C8H8）·（THF）2whereLnisProrNd,C9H7isindenyl,andC8H8iscyclooctatetraene（COT）.ThecomplexeswerepreparedbythereactionofLnCl3withK（C9H7）andK2（C8H8）inTHF.（C9H7）Pr（C8H8）·（THF）2crystallizesinTHFat-15℃inthemonoclinicspacegroupP21:withunitcelldimensionsa=8.446（0）,b=10.083（2）,c=13.407（3）,β=105.48（1）°,V=1100.43（35）3,Dc=1.52g/cm3andZ=2.ThefinalRvalueis0.033,Rwvalueis0.030,respectively.In（C9H7）Pr（C8H8）·（THF）2afive-memberedringcentroidofC9H7,theC8H8ringcentroidandthetwooxygenatomsfromthetwoTHFmoleculesformadistortedtetrahedralgeometryaroundthemetal.

简介：Thetitlecomplexi-C4H9Co（salen）（Py）（Py=pyridine.salen=dianionofdisalicylideneethylenediamine）hasbeenfirstsynthesized.ItscrystalstructurehasbeendeterminedbyX-raydiffractionmethod.ThecrystsisaremonoclinicwithspacegroupP21/C.Theunitcellparametesarepresented.ThestructurehasbeenrefinedtoafinalRof0.038.

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简介：ＳＹＮＴＨＥＳＩＳＯＦ３－ＡＲＹＬ－１（２Ｈ，４Ｈ）ＡＣＲＩＤＯＮＥＳＡＮＤＴＨＥＩＲＤＥＲＩＶＡＴＩＶＥＳ￥ＲｏｎｇＹＩＮ；ＧｕａｎｇＦａｎＨＡＮ；ＹｕＴｉａｎＬＩ（ＤｅｐａｒｔｍｅｎｔｏｆＭｅｄｉｃａｌＬａｂｏｒａｔｏｒｙ，ＪｉｌｉｎＭｅｄｉｅａ...

简介：AbinitiomolecularorbitalcalculationsofdoublynegativechargedB16H162-(D2)andneutralB16H16(Td)havebeendoneattheHF/6-31Glevel.TheyarepredictedtobechemicallyandkineticallystablebyvibrationalanalysesontheirrespectiveenergyhypersurfaceoftheHF/6-31Glevel.ThegeometricalstructureofthespeciesB16H1622-(D2)wasdiscussed.

简介：Aseriesofnovel1H-benzimidazol-1-ylacetatesand1H-benzimidazol-1-ylpropionatescontaining1H-1,2,4-triazolemoietyweresynthesizedundermicrowaveirradiationbymulti-stepreactions,inyieldsof87-94%.TheirinvitroantifungalactivitiesagainstBotrytiscinereaandSclerotiniasclerotiorumwereevaluatedbymycelialgrowthratemethod.AllthetargetcompoundsexhibithighactivitiesagainstB.cinereawiththeEC50valuesof7.96-21.74μg/mL,higherthanthatofcarbendazim.

简介：Thetitlecomplex,[La(baec)1/2(H2btec)1/2(H2O)]n(H4btec=1,2,4,5-benzenetetracarboxylicacid)(1)wassynthesizedbythehydrothermalreactionof1,2,4,5-benzenetetracarboxylicdianhydridewithLa(NO3)3·6H2OinH2O,andcrystallizesinthetriclinicsystem,spacegroupP-1withα=0.64403(3)nm,b=0.94500(4)nm,c=0.96380(5)nm,α=88.535(2)°,β=100.314(2)°,γ=76.6470(10)°,V=1.69968(10)nm^3,Z=2,andfinalR=0.0274,Rw=0.0735.In1,eachLa(Ⅲ）ioniscoordinatedbyeightoxygenatomsfromsixcarboxylategroupsandonecoordinatedwatermolecule.TwodifferentcoordinstionmodesofH4btecwerePresentinthestructure,oneofwhichcontainstwoprotonatedcarboxylategrougpstobalancethecharge.

简介：The2-C,methylenegroupof1-aroyl-1,2-dihydro-3H-naphtho[2,1-b]pyran-3-ones(2)havebeenshowedtopossessasuperiorreactivitytowardsmanyoforganicreagents.Thena-phthopyrones(2)condensedwitharomaticaldehydestogivethe2-arylidinederivatives(3).Bromin-ationof2gave1,2-dibromo(4)or5-bromo(5)derivativesdependingonthereactionconditions.Thebasecatalyzedadditionorcycloadditionofnaphthopyrones(2)to4-methoxybenzalacetophenonegavetheexpectedMichaeladduct(6)orthecyclicadducts(7-9)dependingonthetypeofcatalyticbaseandreactionconditions.Structuresoftheproductshavebeenestablishedbyelementalanalyses,IRand~1HNMRspectroscopicmethods.

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简介：标题化合物（C24H16N4S）以噻吩-2-甲醛、苯甲酰乙腈和3-甲基-1-苯基-1H-吡唑-5-胺为原料,在离子液体[bmim]Br溶剂中,在80℃搅拌合成得到.其结构通过单晶X射线衍射法确定,晶体属于三斜晶系,空间群P-1,相对分子质量Mr=392.47,晶胞参数a=0.93612（8）nm,b=1.03063（12）nm,c=1.16624（16）nm,V=0.96853（19）nm3,Z=2,晶胞密度Dc=1.346g/cm3,吸收系数μ=0.185mm-1,单胞中电子的数目F（000）=408.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子R=0.0585,wR=0.1337.在晶体结构中新形成的吡啶环与吡唑环近似于共平面结构.

简介：￣１ＨＡＮＤ￣（１３）ＣＮＭＲＳＴＵＤＹＯＦＩＮＣＬＵＳＩＯＮＣＯＭＰＬＥＸＡＴＩＯＮＯＦＤＳＳＷＩＴＨβ－ＣＹＣＬＯＤＥＸＴＲＩＮ￥ＱｉｎｇＸｉａｎｇＧＵＯ；ＴａｎＲＥＮ；ＺｉＺｈｏｎｇＬＩａｎｄＹｏｕＣｈｅｎｇＬＩＵ（ＮａｔｉｏｎａｌＬａｂｏｒａ...

简介：标题化合物（C30H35N3）以4-甲基苯甲醛、环十二酮和3-甲基-1-苯基-1H-吡唑-5-胺,在三氟乙酸和醋酸的作用下,经微波辐射合成得到.其结构通过单晶X射线衍射法确定,晶体属单斜晶系,空间群P21/c,相对分子质量Mr=437.61,晶胞参数a=1.08926（11）nm,b=2.1927（2）nm,c=1.04954（14）nm,V=2.4641（5）nm3,Z=4,晶胞密度Dc=1.180g/m3,吸收系数μ=0.069mm-1,单胞中电子的数目F（000）=944.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R=0.0468,ωR=0.0905.在晶体结构中新形成的吡啶环为共平面结构.

简介：对化合物[Na_2（H_2O）_（10）][Cu_4（H_2O）_（12）（H_2W_（12）O_（42））]·15H_2O（简称Na_2Cu_4W_（12））进行了体外抗肿瘤活性研究.应用四甲基偶氮唑盐（3-[4,5-dimethylthiazo-2-y]-2,5-diphenyltetrazoliumbromide,MTT）比色法分析Na_2Cu_4W_（12）对人肝癌细胞（HepG2）、人神经母细胞瘤细胞（SHY5Y）增殖抑制活性.采用光学显微镜观察肿瘤细胞的凋亡形态变化,用流式细胞术分析细胞周期和细胞凋亡,计算各期细胞比例及细胞凋亡率.结果表明,Na_2Cu_4W_（12）对HepG2和SHY5Y2种肿瘤细胞增殖半数抑制浓度IC_（50）值分别为5.3和10.2μmol·L~（-1）,且呈剂量依赖性.光学显微镜下处理组细胞出现皱缩、变圆、缩小等形态变化,不同浓度Na_2Cu_4W_（12）处理12h早期凋亡细胞所占的百分比显著增加且呈剂量依赖性.综上所述,Na_2Cu_4W_（12）能够抑制胞瘤细胞增殖,诱导细胞凋亡.

简介：Thecrystalandmolecularstructuresof[(C3H7O)2PS2]2(CCDCNo.217201)weredeterminedbymeansofX-raycrystallography.ItcrystallizedinatriclinicsystemwithspacegroupP1^-andlatticeparametersa=0.82794(3)nm,b=0.84764(2)nm,c=0.85034(3)nm,α=97.78(3)°β=110.77(3)°,γ=94.95(3)°,V=0.54701(9)nm^3,Z=1.Inthismolecule,thetwodiisopropyldithiophosphategroups,[(C3H7O)2PS2]2,whichareparalleltoeachother,arelinkedbyanS--Sbondandthereexistinversioncentersinthemolecule,Inthestructure,theP=Sbondsinthetwodithiophosphateunitsaretrans-orientedtoeachother.

简介：一系列2,4,5-triaryl在vitro作为ALK5禁止者代替了1H-pyrazol-3(2H)-ones,，是desigened，综合并且评估。大多数混合物在1μmol/L展出了显著ALK5抑制活动并且没在30μmol/L显示重要cytotoxicities。

简介：AseriesofnovelN-（3-furan-2-yl-1-phenyl-1H-pyrazol-5-yl）amidesderivativesweredesignedandsynthesized.Theirstructureswereconfirmedby1HNMR,13CNMRandHRMS.Alltitlecompoundswereevaluatedfortheirherbicidalandantifungalactivities.Preliminarybioassayresultsindicatedthatthetitlecompoundsshowedgoodtomoderateherbicidalactivityat1000mg/L.Compound6qpresentedthebestactivityagainstDigitariasanguinalis（L）Scop.,AmaranthusretroflexusL.andArabidopsisthalianawithaninhibitiondegreeoffive.Compound6dalsoshowedaninhibitiondegreeoffiveagainstD.sanguinalis.Inaddition,at50mg/L,mostcompoundsexhibitedgoodinvitroantifungalactivityagainstSclerotiniasclerotiorum,withcompound6cshowingover90%antifungalactivityagainstS.sclerotiorumandPelliculariasasakii.

简介：存取2-substituted-N1-carbethoxy-2,3-dihydro-4(1H)的一条灵巧、有效、新奇的途径-quinazolinones是被代替的N-carbethoxyanthranilamide的冷凝作用用p-toluenesulfonic酸在refluxing2,2,2-trifluoroethanol或hexafluoroisopropanol与烷基，aromatic或异种aromatic醛开发催化剂。

简介：有代替的吲哚的o-alkynylbenzaldehydes或o-alkynylbenzaldimines的催化双人脚踏车反应由羰基或imine组的吲哚的分子间的增加开始了的Pd(II)由intramolecular炔属羟的nucleopalladation列在后面，由protonolysis熄灭碳钯契约改革Pd(II)种类被开发。没有一个氧化还原作用系统的必要性，反应能在温和条件下面被执行。